1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine

C13H20ClN — CID 65026563

IUPAC1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)cc(CNC(C)(C)CCl)c1
InChIInChI=1S/C13H20ClN/c1-10-5-11(2)7-12(6-10)8-15-13(3,4)9-14/h5-7,15H,8-9H2,1-4H3
InChIKeyZUQYWQGFFZWXFI-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.41
Rot. Bonds4

About 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine

1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 65026563) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID65026563
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)cc(CNC(C)(C)CCl)c1
InChIInChI=1S/C13H20ClN/c1-10-5-11(2)7-12(6-10)8-15-13(3,4)9-14/h5-7,15H,8-9H2,1-4H3
InChIKeyZUQYWQGFFZWXFI-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
CID 103700185
1-chloro-N-[(4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026790
1-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026569
4-chloro-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 102879048
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 114349105
N-[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]formamide
CID 86078614
1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 159168740
1-[(3,5-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 63932078
3-chloro-N-[(3,5-dimethylphenyl)methyl]propan-1-amine
CID 65026271
2,4,5-trichloro-N-[(3,5-dimethylphenyl)methyl]aniline
CID 63419324
2-[(3,5-dimethylphenyl)methylamino]-2-ethylbutanoic acid
CID 79804678
1-(chloromethyl)-3,5-dimethylbenzene;silane
CID 160884326

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine (CID 65026563) is 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine is Cc1cc(C)cc(CNC(C)(C)CCl)c1.
What is the InChIKey of 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is ZUQYWQGFFZWXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-10-5-11(2)7-12(6-10)8-15-13(3,4)9-14/h5-7,15H,8-9H2,1-4H3.
What are the key properties of 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine?
1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 225.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65026563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).